ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate

C19H32N6O4 — CID 24816879

IUPACethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C19H32N6O4/c1-2-29-19(27)14-16-6-3-4-8-24(16)18(26)7-5-9-25-17(20-21-22-25)15-23-10-12-28-13-11-23/h16H,2-15H2,1H3
InChIKeyPIXGORLDOZRVRC-UHFFFAOYSA-N
MW408.50 g/mol
LogP0.62
Rot. Bonds9

About ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate

ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate (PubChem CID 24816879) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate
PubChem CID24816879
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Nameethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C19H32N6O4/c1-2-29-19(27)14-16-6-3-4-8-24(16)18(26)7-5-9-25-17(20-21-22-25)15-23-10-12-28-13-11-23/h16H,2-15H2,1H3
InChIKeyPIXGORLDOZRVRC-UHFFFAOYSA-N
XLogP0.62
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate (CID 24816879) is ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1.
What is the InChIKey of ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate?
The InChIKey is PIXGORLDOZRVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-2-29-19(27)14-16-6-3-4-8-24(16)18(26)7-5-9-25-17(20-21-22-25)15-23-10-12-28-13-11-23/h16H,2-15H2,1H3.
What are the key properties of ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate?
ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate has a molecular weight of 408.50 g/mol, XLogP of 0.62, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 24816879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).